4-[3-(2-bromanylethanoyl)phenyl]-7-(dimethylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(2-bromanylethanoyl)phenyl]-7-(dimethylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(2-bromoacetyl)phenyl]-7-(dimethylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(2-bromo-1-oxoethyl)phenyl]-7-(dimethylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(2-bromoacetyl)phenyl]-7-(dimethylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(2-bromoacetyl)phenyl]-7-(dimethylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C20H17BrF3N3O2 MolecularWeight: 468.26709

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=CC=C3)C(=O)CBr

Isomeric SMILES

CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=CC=C3)C(=O)CBr

InChI

InChI=1S/C20H17BrF3N3O2/c1-27(2)17-8-16-15(7-13(17)20(22,23)24)26-19(29)9-14(25-16)11-4-3-5-12(6-11)18(28)10-21/h3-8H,9-10H2,1-2H3,(H,26,29)